SCHEMBL3881744

SCHEMBL3881744

CSc1c(C#N)cnc2ccc(I)cc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.40
PARP1 P09874 1/20 0.40
MAP2K1 Q02750 3/20 0.38
LRRK2 Q5S007 1/20 0.38
EGFR P00533 7/20 0.36
ERBB2 P04626 3/20 0.35
RAF1 P04049 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
ENPP1 P22413 1/20 0.33
PRKDC P78527 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3883610 0.86 SRC (0.38) SRCPARP1MAP2K1LRRK2EGFR
SCHEMBL3882256 0.86 PKM (0.39) SRCPARP1LRRK2ENPP1
SCHEMBL3889774 0.86 LRRK2 (0.40) SRCPARP1MAP2K1LRRK2EGFR
SCHEMBL14452646 0.83 CHRM4 (0.44) SRCPARP1MAP2K1LRRK2EGFR
SCHEMBL3880280 0.83 LRRK2 (0.38) SRCPARP1LRRK2EGFRERBB2
SCHEMBL3880124 0.82 ENPP1 (0.44) SRCL3MBTL1ENPP1
SCHEMBL3883306 0.81 SRC (0.42) SRCPARP1MAP2K1LRRK2EGFR
SCHEMBL3881730 0.79 ENPP1 (0.41) SRCPARP1L3MBTL1ENPP1
SCHEMBL3888587 0.78 LRRK2 (0.38) SRCMAP2K1LRRK2EGFRERBB2
SCHEMBL3884219 0.78 SRC (0.38) SRCMAP2K1LRRK2EGFRERBB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771443-B1 QUINOLINE THIAZOLINONES WITH CDK-1 ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2009-01-07 EP disclosed
EP-1771443-B1 QUINOLINE THIAZOLINONES WITH CDK-1 ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2009-01-07 EP disclosed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US disclosed
EP-1771443-A1 QUINOLINE THIAZOLINONES WITH CDK1 ANTIPROLIFERATIVE ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2007-04-11 EP disclosed
WO-2006002828-A1 QUINOLINE THIAZOLINONES WITH CDK1 ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 WO disclosed
US-20060004046-A1 Thiazolinone 3,4-disubstituted quinolines CHEN LI 2006-01-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060004046-A1 Thiazolinone 3,4-disubstituted quinolines CDK1, CDK17, CDK14 SRC 1014/4885PARP1 267/4885MAP2K1 525/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.